4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine

C15H17N3 — CID 55075288

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1cc(CN2Cc3ccccc3C2)ccn1
InChIInChI=1S/C15H17N3/c1-16-15-8-12(6-7-17-15)9-18-10-13-4-2-3-5-14(13)11-18/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyKLCFKZIIEVUOGI-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.64
Rot. Bonds3

About 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine

4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 55075288) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
PubChem CID55075288
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1cc(CN2Cc3ccccc3C2)ccn1
InChIInChI=1S/C15H17N3/c1-16-15-8-12(6-7-17-15)9-18-10-13-4-2-3-5-14(13)11-18/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyKLCFKZIIEVUOGI-UHFFFAOYSA-N
XLogP2.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[[2-(methylamino)-4-pyridinyl]methyl]-4H-quinazolin-2-one
CID 82010317
[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471385
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
4-(indol-1-ylmethyl)-N-methylpyridin-2-amine
CID 141153764
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
4-[(4-bromopyrazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62465451
4-[(2,5-dimethylmorpholin-4-yl)methyl]-N-methylpyridin-2-amine
CID 62472249
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
CID 62465636
3,3-dimethyl-4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-2,6-dione
CID 66074649

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine (CID 55075288) is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine is CNc1cc(CN2Cc3ccccc3C2)ccn1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is KLCFKZIIEVUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-16-15-8-12(6-7-17-15)9-18-10-13-4-2-3-5-14(13)11-18/h2-8H,9-11H2,1H3,(H,16,17).
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine?
4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 55075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).